ethyl 1-ethyl-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-(2-anilino-2-oxo-ethyl)sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[(2-anilino-2-oxoethyl)thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-anilino-2-oxoethyl)sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[(2-anilino-2-keto-ethyl)thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3S/c1-3-23-17-11-10-14(19(25)26-4-2)12-16(17)22-20(23)27-13-18(24)21-15-8-6-5-7-9-15/h5-12H,3-4,13H2,1-2H3,(H,21,24)